Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fc6122c3318759e23854bb71c55f09b3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 50.441,
"b": 79.186,
"c": 55.352,
"alpha": 90.0,
"beta": 107.6,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.980],
"number_observations": 85795,
"number_observations_unique": 28244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.980],
"number_observations_unique": 1328,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.420
},
{
"type": "R(meas)",
"value": 0.570
},
{
"type": "R(pim)",
"value": 0.383
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.729
}
]
},
{
"resolution_limits": [2.050,2.010],
"number_observations_unique": 1352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.367
},
{
"type": "R(meas)",
"value": 0.493
},
{
"type": "R(pim)",
"value": 0.327
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.758
}
]
},
{
"resolution_limits": [2.090,2.050],
"number_observations_unique": 1354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.304
},
{
"type": "R(meas)",
"value": 0.409
},
{
"type": "R(pim)",
"value": 0.271
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.818
}
]
},
{
"resolution_limits": [2.130,2.090],
"number_observations_unique": 1364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.258
},
{
"type": "R(meas)",
"value": 0.341
},
{
"type": "R(pim)",
"value": 0.221
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.852
}
]
},
{
"resolution_limits": [2.180,2.130],
"number_observations_unique": 1356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.250
},
{
"type": "R(meas)",
"value": 0.329
},
{
"type": "R(pim)",
"value": 0.210
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.857
}
]
},
{
"resolution_limits": [2.230,2.180],
"number_observations_unique": 1396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "R(meas)",
"value": 0.305
},
{
"type": "R(pim)",
"value": 0.189
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.876
}
]
},
{
"resolution_limits": [2.290,2.230],
"number_observations_unique": 1391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "R(meas)",
"value": 0.278
},
{
"type": "R(pim)",
"value": 0.167
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.920
}
]
},
{
"resolution_limits": [2.350,2.290],
"number_observations_unique": 1391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "R(meas)",
"value": 0.255
},
{
"type": "R(pim)",
"value": 0.151
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.922
}
]
},
{
"resolution_limits": [2.420,2.350],
"number_observations_unique": 1419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "R(meas)",
"value": 0.229
},
{
"type": "R(pim)",
"value": 0.132
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [2.490,2.420],
"number_observations_unique": 1396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "R(meas)",
"value": 0.218
},
{
"type": "R(pim)",
"value": 0.123
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.956
}
]
},
{
"resolution_limits": [2.580,2.490],
"number_observations_unique": 1405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "R(pim)",
"value": 0.103
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [2.690,2.580],
"number_observations_unique": 1443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.165
},
{
"type": "R(pim)",
"value": 0.088
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [2.810,2.690],
"number_observations_unique": 1430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.960,2.810],
"number_observations_unique": 1442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.140,2.960],
"number_observations_unique": 1459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.390,3.140],
"number_observations_unique": 1444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.730,3.390],
"number_observations_unique": 1464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.260,3.730],
"number_observations_unique": 1469,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [5.370,4.260],
"number_observations_unique": 1461,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [50.000,5.370],
"number_observations_unique": 1480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}